CID 15428053

(1s,4s)-2-thia-5-azabicyclo[2.2.1]heptane hydrochloride

Structural Information

Molecular Formula
C5H9NS
SMILES
C1[C@H]2CN[C@@H]1CS2
InChI
InChI=1S/C5H9NS/c1-4-3-7-5(1)2-6-4/h4-6H,1-3H2/t4-,5-/m0/s1
InChIKey
LTQBUWVDIKUNHJ-WHFBIAKZSA-N
Compound name
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

115.04557 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 122.6
[M+Na]+ 138.03479 130.8
[M-H]- 114.03829 123.1
[M+NH4]+ 133.07939 149.1
[M+K]+ 154.00873 129.3
[M+H-H2O]+ 98.042830 118.6
[M+HCOO]- 160.04377 137.6
[M+CH3COO]- 174.05942 136.3
[M+Na-2H]- 136.02024 125.1
[M]+ 115.04502 120.6
[M]- 115.04612 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe